2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene

C26H27F — CID 139852115

IUPAC2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
SMILESC=CC1CCC(C2CCc3cc(C#Cc4ccc(F)cc4)ccc3C2)CC1
InChIInChI=1S/C26H27F/c1-2-19-5-10-22(11-6-19)24-14-13-23-17-21(7-12-25(23)18-24)4-3-20-8-15-26(27)16-9-20/h2,7-9,12,15-17,19,22,24H,1,5-6,10-11,13-14,18H2
InChIKeySLNNNHSCYYVAPR-UHFFFAOYSA-N
MW358.50 g/mol
LogP6.32
Rot. Bonds2

About 2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene

2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139852115) has the molecular formula C26H27F and a molecular weight of 358.50 g/mol. Its IUPAC name is 2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139852115
Molecular FormulaC26H27F
Molecular Weight358.50 g/mol
Exact Mass358.21
IUPAC Name2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
SMILESC=CC1CCC(C2CCc3cc(C#Cc4ccc(F)cc4)ccc3C2)CC1
InChIInChI=1S/C26H27F/c1-2-19-5-10-22(11-6-19)24-14-13-23-17-21(7-12-25(23)18-24)4-3-20-8-15-26(27)16-9-20/h2,7-9,12,15-17,19,22,24H,1,5-6,10-11,13-14,18H2
InChIKeySLNNNHSCYYVAPR-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.50
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethenylcyclohexyl)-5-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139852235
2-[4-[(E)-prop-1-enyl]cyclohexyl]-6-[2-(3,4,5-trifluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853568
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene
CID 19380515
2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139853275
6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139852551
6-but-3-enyl-2-[6-[(E)-2-fluoroethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 22383068
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
2-(4-ethylcyclohexyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848969
5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene
CID 59146823
6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139853441
2-ethyl-7-fluoro-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853068
6-ethenyl-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139848588

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene (CID 139852115) is 2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene is C=CC1CCC(C2CCc3cc(C#Cc4ccc(F)cc4)ccc3C2)CC1.
What is the InChIKey of 2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is SLNNNHSCYYVAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F/c1-2-19-5-10-22(11-6-19)24-14-13-23-17-21(7-12-25(23)18-24)4-3-20-8-15-26(27)16-9-20/h2,7-9,12,15-17,19,22,24H,1,5-6,10-11,13-14,18H2.
What are the key properties of 2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene?
2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 358.50 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139852115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).